UCSF

ZINC69963659

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 15 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.12 3.88 -103.68 4 4 2 56 211.309 3
Hi High (pH 8-9.5) 0.12 3.19 -5.03 2 4 0 53 209.293 3
Mid Mid (pH 6-8) 0.12 3.47 -48.16 3 4 1 55 210.301 3

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.